SCHEMBL4084286

SCHEMBL4084286

CC(C)(C)OC(=O)NCCCNc1ncc(Cl)c(-c2cc3c(C(=O)NC4CC4)cccc3s2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.43
STK17A Q9UEE5 1/20 0.43
FGFR1 P11362 1/20 0.40
TTK P33981 1/20 0.39
MERTK Q12866 9/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
SIRT5 Q9NXA8 2/20 0.37
PBK Q96KB5 1/20 0.36
FLT3 P36888 7/20 0.36
TYRO3 Q06418 7/20 0.36
GAS6 Q14393 7/20 0.36
MET P08581 1/20 0.35
CRHR1 P34998 1/20 0.35
RAB9A P51151 1/20 0.35
AXL P30530 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3961848 0.88 LMNA (0.41) MERTK
SCHEMBL3963408 0.87 MERTK (0.39) MERTK
SCHEMBL3963399 0.87 MERTK (0.39) MERTK
SCHEMBL3964007 0.86 TYRO3 (0.36) FGFR1MERTKFLT3TYRO3GAS6
SCHEMBL3961953 0.85 CCNT1 (0.39) FGFR1MERTKSIRT5FLT3TYRO3
SCHEMBL3965646 0.85 TBK1 (0.44) FGFR1MERTKSIRT5FLT3TYRO3
SCHEMBL3966644 0.84 LMNA (0.42) MERTK
Hydrochloric Acid SCHEMBL3963698 0.84 AXL (0.38) FGFR1MERTKFLT3TYRO3GAS6
SCHEMBL4209762 0.83 FGFR1 (0.39) FGFR1MERTKFLT3TYRO3GAS6
SCHEMBL3966655 0.83 FGFR1 (0.39) FGFR1MERTKFLT3TYRO3GAS6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547691-B2 [4-(Benzo[B]thiophen-2-yl) Pyrimidin-2-yl]-amine derivatives as IKK-beta inhibitors for the treatment of cancer and inflammatory diseases ELI LILLY AND COMPANY (US) 2009-06-16 US disclosed
US-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases ELI LILLY AND COMPANY 2008-12-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases NFKBIA, IKBKB, IKBKG STK17B 338/4885STK17A 416/4885FGFR1 2268/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.